SCHEMBL6828546

SCHEMBL6828546

COc1ccc(C(C)(C)CCC=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
APP P05067 2/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6828545 0.86 TRIM24 (0.51) ERN1TRIM24TYRTRIM33NPC1
SCHEMBL4640510 0.81 ALDH1A1 (0.43) ERN1TRIM24TYRTRIM33NPC1
SCHEMBL6826541 0.80 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6828510 0.74 ALDH1A1 (0.48) TRIM24TRIM33NPC1RAB9AALDH1A1
SCHEMBL6826320 0.74 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPK1MAPT
SCHEMBL11440351 0.73 ALDH1A1 (0.58) ERN1TRIM24TYRTRIM33NPC1
SCHEMBL910548 0.72 POLB (0.62) ERN1TRIM24TYRTRIM33NPC1
SCHEMBL3625530 0.71 POLB (0.57) ERN1TRIM24TYRTRIM33NPC1
SCHEMBL6828614 0.71 ALDH1A1 (0.47) TRIM24TYRTRIM33RAB9ABACE1
SCHEMBL5890023 0.71 ALDH1A1 (0.47) BACE1ALDH1A1CYP3A4MAPTAPP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2004-11-18 US disclosed
US-20020132032-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US disclosed
EP-1219633-A1 PROCESS FOR PRODUCING ASPARTAME DERIVATIVE, CRYSTALS THEREOF, NOVEL PRODUCTION INTERMEDIATES THEREFOR AND PROCESS FOR PRODUCING THE INTERMEDIATE Ajinomoto Co., Inc. (JP) 2002-07-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040230073-A1 Process for production of aspartame derivative, crystal thereof, novel production intermediate therefor, and process for production of intermediate thereof IAPP, DPP4, SI ERN1 1719/4885TRIM24 1306/4885TYR 2077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.